3-Aminopropan-1,2-diol
3-AMINOPROPANE-1,2-DIOL · APD · 3-AMINO-1,2-PROPANDIOL · Isoserinol · AMINOPROPANEDIOL · 2,3-Dihydroxypropylamine · 3-amino-1,2-propanediol (APD) · 3--1,2-
Identifikatoren & physikalische Daten
| CAS No. | 616-30-8 |
|---|---|
| Summenformel | C3H9NO2 |
| Durchschnittliche Molmasse | 91,11 g/mol |
| Monoisotopische Masse | 91,06332853 g/mol |
| SMILES | NCC(O)CO |
| InChIKey | KQIGMPWTAHJUMN-UHFFFAOYSA-N |
| PubChem CID | 73561 |
| EC No. | 210-475-8 |
| DTXSID | DTXSID30862294 |
| Lokaler Name | 3-Aminopropan-1,2-diol |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 32 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Schmelzpunkt | 55-57 °C |
| Siedepunkt | 264-265 °C739 mm Hg(lit.) |
| Dichte | 1.175 g/mL at 25 °C(lit.) |
| Dampfdruck | <1 hPa (20 °C) |
| Brechungsindex | n20/D 1.492(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | >1000g/l soluble |
| Aggregatzustand | liquid (highly viscous) |
| pKa (Säurekonstante) | 12.11±0.35(Predicted) |
| Farbe | Clear colorless to pale yellow |
| Wichte | 1.175 |
| pH | 11 (100g/l, H2O, 20℃) |
| BRN | 1719121 |
| Kosmetik-Inhaltsstoffe Funktionen | BUFFERING |
| InChI | 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2 |
| InChIKey | KQIGMPWTAHJUMN-UHFFFAOYSA-N |
| SMILES | NCC(O)CO |
| LogP (Verteilungskoeffizient) | -2.079 (est) |
| CAS Datenbank | 616-30-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Amino-1,2-propanediol(616-30-8) |
| EPA chemische Informationen | 1,2-Propanediol, 3-amino- (616-30-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (94%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 184 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Propanediol, 3-amino-Status: Active Update: 21-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/51861,2-Propanediol, 3-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Corr. 1B (94%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| Zollcode | 29221980 |
| RTECS-Nr. | TY2800000 |
| R-Sätze (R) | 34-36/37/38 |
| Toxizität | LD50 orally in Rabbit: 7500 mg/kg |
| Gefahrensymbole | C,Xi |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
3-Amino-1,2-propanediol (APD) is a calcium metabolism regulator useful in the treatment of Paget's disease, tumor-induced hypercalcemia and other bone disorders involving increased osteoclastic activity.
Verwenden
3-Amino-1,2-propanediol is used in the preparation of iohexol, which is a X-CT non-ionic contrast medium. It acts as a starting material in the production of specialty materials.
Verwenden
A chiral glycerol derivative, namely 3-amino-1,2-propanediol, was employed for as the hydrogen bond donor (HBD) in the design of a new deep eutectic solvent (DES) with choline chloride acting as the hydrogen bond acceptor (HBA). The novel mixture was characterized and unambiguously classified as a DES[4].
Herstellung & Synthese
synthetische
3-Amino-1,2-propanediol is synthesized by reacting 3-chloro-1,2-propanediol (CPD) with ammonia in alkaline environment by adding sodium hydroxide. Afterwards, the product undergoes a series of purification steps.